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Substance Name: (4-Nitrophenoxy)acetic acid
RN: 1798-11-4
InChIKey: AVDLFIONKHGQAP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N-O5

Molecular Weight

  • 197.145
 
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Names and Synonyms

Name of Substance

  • (4-Nitrophenoxy)acetic acid

Synonyms

  • (4-Nitrophenoxy)acetic acid
  • 4-06-00-01302 (Beilstein Handbook Reference)
  • Acetic acid, (4-nitrophenoxy)-
  • Acetic acid, p-nitrophenoxy-
  • AI3-52610
  • Ba 2690
  • BRN 2051970
  • EINECS 217-283-3
  • NSC 166278
  • p-Nitrophenoxyacetic acid

Systematic Names

  • 4-Nitrophenoxyacetic acid
  • Acetic acid, (4-nitrophenoxy)-
  • Acetic acid, 2-(4-nitrophenoxy)-
  • Acetic acid, p-nitrophenoxy-

Registry Numbers

CAS Registry Number

  • 1798-11-4

System Generated Number

  • 0001798114

Structure Descriptors

InChI

1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)

InChIKey

AVDLFIONKHGQAP-UHFFFAOYSA-N

Smiles

c1(ccc(OCC(O)=O)cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 936mg/kg (936mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 211, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 2.89 (none) 25 EXP
log P (octanol-water) 1.48 (none)   EXP
Water Solubility 2490 mg/L 25 EST
Vapor Pressure 1.42E-05 mm Hg 25 EST
Henry's Law Constant 6.62E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.48E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.